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Mostrati risultati da 1 a 20 di 73
Titolo Data di pubblicazione Autore(i) File
The Combined Use of Deuterium NMR and Computer Simulations for Conformational Investigation of Flexible Molecules in Nematic Solutions 1-gen-2005 Celebre, Giorgio; DE LUCA, G.; Mazzone, G.
Mechanistic aspects of the reaction of Th+ and Th2+ with water in gas-phase 1-gen-2008 Mazzone, G.; Michelini, M. C.; Russo, N.; Sicilia, Emilia
Interaction of CO with PdAu(111) and PdAu(100) Bimetallic Surfaces: A Theoretical Cluster Model Study 1-gen-2008 Mazzone, G; Rivalta, I; Russo, Nino; Sicilia, E.
Adsorption of ethylene, Vinyl, Acetic Acid, and Acetate species on PdAu(111) and PdAu(100) surface alloys: a cluster model study 1-gen-2009 Rivalta, I; Mazzone, G; Russo, Nino; Sicilia, Emilia
The geometric effect in palladium–gold catalysis. Is the coupling the rate-determining step in the vinyl-acetate synthesis? 1-gen-2009 Mazzone, G.; Rivalta, I.; Russo, Nino; Sicilia, E.
The influence of surface oxygen and hydroxyl group on the dehydrogenation of ethylene on PdAu surface alloys. A theoretical cluster model study 1-gen-2010 Ivan, Rivalta; Mazzone, Gloria; Russo, Nino; Sicilia, Emilia
Gold(I)-Catalyzed Hydration of 1,2- Phenylacetylene: Computational Insights 1-gen-2010 Mazzone, Gloria; Russo, Nino; Sicilia, Emilia
The mutual influence of non-covalent interactions in π-electron deficient cavities: the case of anion recognition by tetraoxacalix[2]arene[2]triazine 1-gen-2010 Alberto, M. E.; Mazzone, G.; Russo, Nino; Sicilia, Emilia
Dimethylplatinum(II) Complexes: Computational Insights into Pt–C Bond Protonolysis 1-gen-2011 Mazzone, G.; Russo, Nino; Sicilia, Emilia
Homogeneous Gold Catalysis: Hydration of 1,2-Diphenylacetylenewith Methanol in Aqueous Media. A Theoretical Viewpoint 1-gen-2012 Mazzone, G; Russo, Nino; Sicilia, Emilia
Density Functional Predictions of Antioxidant Activity and UV Spectral Features of Nasutin A, Isonasutin, Ellagic Acid, and One of Its Possible Derivatives 1-gen-2013 Mazzone, Gloria; Toscano, Marirosa; Russo, Nino
Density functional study of the antioxidant activity of some recently synthesized resveratrol analogues 1-gen-2013 Mazzone, G.; Malaj, N.; Russo, Nino; Toscano, Marirosa
Theoretical investigation of the absorption spectra and singlet-triplet energy gap of positively charged tetraphenylporphyrins as potential photodynamic therapy photosensitizers 1-gen-2013 Mazzone, G.; Russo, Nino; Sicilia, Emilia
Ab-initio calculations on 1O2 quenching mechanism by trans-resveratrol 1-gen-2014 Mazzone, Gloria; Alberto, Marta E.; Russo, Nino; Sicilia, Emilia
Theoretical mechanistic study of the formic acid decomposition assisted by a Ru(II)-phosphine catalyst 1-gen-2014 Mazzone, Gloria; Alberto, Marta E.; Sicilia, Emilia
Theoretical determination of electronic spectra and intersystem spin-orbit coupling: The case of isoindole-bodipy dyes 1-gen-2014 Alberto, M. E.; De Simone, B. C.; Mazzone, G.; Quartarolo, A. D.; Russo, N.
Electronic spectra and intersystem spin-orbit coupling in 1,2- and 1,3-squaraines 1-gen-2014 Marta E., Alberto; Gloria, Mazzone; Angelo D., Quartarolo; Flavio Fortes Ramos, Sousa; Sicilia, Emilia; Russo, Nino
Antioxidant properties of several coumarin– chalcone hybrids from theoretical insights 1-gen-2015 Mazzone, G; Malaj, N; Galano, A; Russo, Nino; Toscano, Marirosa
Understanding Zn(II) Chelation with Quercetin and Luteolin: a Combined NMR and Theoretical Study 1-gen-2015 Alexandra, Primikyri; Mazzone, Gloria; Christina, Lekka; Andreas, Tzakos; Russo, Nino; Gerothanassis, Ioannis P.
Catalytic Role of Dinuclear σ,π-Acetylide Gold(I) Complexes in the Hydroamination of Terminal Alkynes: Theoretical Insights 1-gen-2015 Mazzone, G.; Russo, Nino; Sicilia, Emilia
Mostrati risultati da 1 a 20 di 73
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